Chemical ID: 4256965

c1ccc2c(c1)nc(s2)NC(=O)c3ccc(cc3)N
Chemical ID:
4256965
Name [?]:
4-amino-N-benzothiazol-2-yl-benzamide
SMILES [?]:
c1ccc2c(c1)nc(s2)NC(=O)c3ccc(cc3)N
InChi [?]:
InChI=1/C14H11N3OS/c15-10-7-5-9(6-8-10)13(18)17-14-16-11-3-1-2-4-12(11)19-14/h1-8H,15H2,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,18,15,17,13,16,5,4,11,8,19,7,10,12,9/E:(5,6)(7,8)/rA:19nCCCCCCNCSNCOCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11N3OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.06101
Area:451.713
Solvation:-2.23183
Coulombic:-45.1888
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:269.323
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.09
LogP (Chemaxon):3.35

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Descriptor Annotations

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